smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])Cc1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000821538918 598183380 /nfs/dbraw/zinc/18/33/80/598183380.db2.gz AWBLSWCWFCBVHY-UHFFFAOYSA-N -2 1 291.734 3.285 20 10 CGCDML O=C(Nc1ccccc1[S-])c1ccc(O)c([O-])c1Cl ZINC001193232512 810865132 /nfs/dbraw/zinc/86/51/32/810865132.db2.gz MBPUXPYFPMQCIM-UHFFFAOYSA-N -2 1 295.747 3.292 20 10 CGCDML O=C([O-])c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000789898965 629172705 /nfs/dbraw/zinc/17/27/05/629172705.db2.gz RDFZPCXJXQJCIT-UHFFFAOYSA-N -2 1 295.697 3.495 20 10 CGCDML O=C([O-])c1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000158687423 959096216 /nfs/dbraw/zinc/09/62/16/959096216.db2.gz NNZOOENAMLKJKH-UHFFFAOYSA-N -2 1 277.707 3.356 20 10 CGCDML